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Chemical structure of Zandelisib

GC62480

Zandelisib

Also known as 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1-methylpiperidin-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

Zandelisib (ME-401) is a phosphatidylinositol 3-kinase (PI3K) inhibitor extracted from patent WO2019183226 A1, Compound Example 1· Zandelisib selectively inhibits p110δ with an IC50 of 3·5 nM· Zandelisib functions as an antineoplastic

ChemicalCAS1401436-95-0MW576.68FormulaC31H38F2N8O
CAS number
1401436-95-0
Molecular weight
576.68
Formula
C31H38F2N8O
Solubility
DMSO ： 33·33 mg/mL (57·80 mM; ultrasonic and warming and adjust pH to 3 with HCl and heat to 60°C)
InChIKey
WPFUFWIHMYZXSF-UHFFFAOYSA-N
Catalogue number
GC62480
Brand
GLPBIO
Computed properties PubChem CID 66571003 · XLogP 5.7 · TPSA 84.2 Ų · H-bond donors 1
XLogP
5.7
TPSA
84.2 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
42

SMILES CC(C)(CC1=CC=CC=C1C2CCN(CC2)C)NC3=NC(=NC(=N3)N4CCOCC4)N5C6=CC=CC=C6N=C5C(F)F

Computed descriptors from PubChem (CID 66571003), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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